CID 512201

Cyclopropanecarboxamide, n-[5-(2-furanyl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3(4h)-yl]-

Structural Information

Molecular Formula
C15H13N3O3S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1NC(=O)C4CC4
InChI
InChI=1S/C15H13N3O3S/c1-8-16-14-12(10(7-22-14)11-3-2-6-21-11)15(20)18(8)17-13(19)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,17,19)
InChIKey
YUULSMGFUBCAPP-UHFFFAOYSA-N
Compound name
N-[5-(furan-2-yl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.06775 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07503 167.9
[M+Na]+ 338.05697 181.3
[M-H]- 314.06047 179.1
[M+NH4]+ 333.10157 179.3
[M+K]+ 354.03091 176.4
[M+H-H2O]+ 298.06501 162.0
[M+HCOO]- 360.06595 187.7
[M+CH3COO]- 374.08160 180.8
[M+Na-2H]- 336.04242 169.0
[M]+ 315.06720 177.3
[M]- 315.06830 177.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.